3-N-[4-(propylamino)butyl]propane-1,2,3-triamine

C10H26N4 — CID 87454636

IUPAC3-N-[4-(propylamino)butyl]propane-1,2,3-triamine
SMILESCCCNCCCCNCC(N)CN
InChIInChI=1S/C10H26N4/c1-2-5-13-6-3-4-7-14-9-10(12)8-11/h10,13-14H,2-9,11-12H2,1H3
InChIKeyOKXGQBNFRDVXPF-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.36
Rot. Bonds10

About 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine

3-N-[4-(propylamino)butyl]propane-1,2,3-triamine (PubChem CID 87454636) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[4-(propylamino)butyl]propane-1,2,3-triamine
PubChem CID87454636
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name3-N-[4-(propylamino)butyl]propane-1,2,3-triamine
SMILESCCCNCCCCNCC(N)CN
InChIInChI=1S/C10H26N4/c1-2-5-13-6-3-4-7-14-9-10(12)8-11/h10,13-14H,2-9,11-12H2,1H3
InChIKeyOKXGQBNFRDVXPF-UHFFFAOYSA-N
XLogP-0.36
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine (CID 87454636) is 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine is CCCNCCCCNCC(N)CN.
What is the InChIKey of 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine?
The InChIKey is OKXGQBNFRDVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-2-5-13-6-3-4-7-14-9-10(12)8-11/h10,13-14H,2-9,11-12H2,1H3.
What are the key properties of 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine?
3-N-[4-(propylamino)butyl]propane-1,2,3-triamine has a molecular weight of 202.35 g/mol, XLogP of -0.36, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(propylamino)butyl]propane-1,2,3-triamine is sourced from PubChem (CID 87454636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).